Products Categories
| CAS No.: | 5407-04-5 |
|---|---|
| Name: | 3-Dimethylaminopropylchloride hydrochloride |
| Article Data: | 9 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C5H13Cl2N |
| Molecular Weight: | 158.071 |
| Synonyms: | Propylamine,3-chloro-N,N-dimethyl-, hydrochloride (7CI,8CI);(3-Chloropropyl)dimethylaminehydrochloride;(3-Chloropropyl)dimethylammonium chloride;1-Chloro-3-(dimethylamino)propane hydrochloride;1-Dimethylamino-3-chloropropane hydrochloride;3-(Dimethylamino)-1-chloropropane hydrochloride;3-(Dimethylamino)-1-propylchloride hydrochloride;3-Chloro-1-(N,N-dimethylamino)propane hydrochloride;3-Chloro-N,N-dimethylpropane-1-amine hydrochloride;N,N-Dimethyl-3-chloropropylamine hydrochloride;N-(3-Chloropropyl)dimethylamine hydrochloride; |
| EINECS: | 226-467-2 |
| Melting Point: | 187-190 °C(lit.) |
| Boiling Point: | 130.7 °C at 760 mmHg |
| Flash Point: | 32.8 °C |
| Solubility: | soluble in water |
| Appearance: | white to yellowish crystalline powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-36/37/38-52/53 |
| Safety: | 26-61-37/39-36 |
| PSA: | 3.24000 |
| LogP: | 1.97890 |
- 540-72-7Sodium thiocyanate
- 540-73-8Hydrazine,1,2-dimethyl- (7CI,8CI,9CI)
- 5407-51-22,6-Benzothiazolediamine
- 5407-58-9Benzothiazole, 2-butoxy-6-nitro-
- 54076-73-2Bicyclo[2.2.1]hept-2-ene,5-[2-(trichlorosilyl)ethyl]-
- 54077-16-62(1H)-Quinolinone,4-hydroxy-3-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
- 54078-29-49H-Cyclopenta[1,2-b:4,3-b']dipyridin-9-one
- 5407-87-42-Pyridinamine, 4,6-dimethyl-
- 5407-91-01-Butanone,1,4-diphenyl-
- 5407-94-32,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In chloroform at 0℃; for 5h; Reflux; | 98% |
| With thionyl chloride In chloroform Reflux; Cooling with ice; | |
| With thionyl chloride In dichloromethane at 0 - 60℃; for 2h; |
- 124-40-3
dimethyl amine
- 107-05-1
3-chloroprop-1-ene
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| With diatomaceous earth In toluene at 45℃; for 10h; Reagent/catalyst; Temperature; Solvent; | 90% |
- 124-40-3
dimethyl amine
- 627-30-5
1-chloro-3-hydroxypropane
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: dimethyl amine; 1-chloro-3-hydroxypropane for 4h; Reflux; Stage #2: With thionyl chloride In tetrachloromethane at 20℃; for 4h; Cooling with ice; | 60.8% |
- 50-00-0
formaldehyd
- 6276-54-6
3-chloropropylamine hydrochloride
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| With formic acid for 30h; Heating; | 30% |
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 132461-45-1
3,5-Dimethyl-11H-10,11-diaza-benzo[b]fluorene
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide In sodium hydroxide; toluene Heating; | 100% |
- 14982-15-1
3-benzyloxyestra-1,3,5(10)-trien-17β-ol
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 144-55-8
sodium hydrogencarbonate
| Conditions | Yield |
|---|---|
| With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide; mineral oil | 100% |
- 487-89-8
Indole-3-carboxaldehyde
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 169120-64-3
1-(3-dimethylaminopropyl)-1H-indole-3-carbaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: Indole-3-carboxaldehyde With caesium carbonate; potassium iodide In acetonitrile at 0℃; for 0.166667h; Stage #2: 3-(dimethylamino)propyl chloride hydrochloride In acetonitrile at 0℃; for 18h; Reflux; | 100% |
| Stage #1: Indole-3-carboxaldehyde With caesium carbonate; potassium iodide In acetonitrile at 0℃; Inert atmosphere; Stage #2: 3-(dimethylamino)propyl chloride hydrochloride In acetonitrile at 83℃; for 28h; Inert atmosphere; | 89% |
| With caesium carbonate In ethanol for 16h; Reflux; | 42% |
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 2,4,7‑trifluoro‑9H‑carbazole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.166667h; Stage #2: 3-(dimethylamino)propyl chloride hydrochloride In N,N-dimethyl-formamide; mineral oil at 50℃; for 2.5h; | 100% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 90℃; Inert atmosphere; Schlenk technique; | 100% |
- 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride
- 66715-60-4
3-iodo-N,N-dimethylpropylamine
| Conditions | Yield |
|---|---|
| Stage #1: 3-(dimethylamino)propyl chloride hydrochloride With sodium iodide In cyclohexane; water at 80℃; for 3h; Inert atmosphere; Stage #2: With sodium hydroxide In cyclohexane; water at 0 - 10℃; Solvent; | 99.8% |
- 120-61-61,4-Benzenedicarboxylicacid, 1,4-dimethyl ester
- 83-48-7Stigmasta-5,22-dien-3-ol,(3b,22E)-
- 496-72-03,4-Diaminotoluene
- 18742-02-41,3-Dioxolane,2-(2-bromoethyl)-
- 106685-41-0Mehtyl 6-[3-(1-adamanty)-4-methoxy phenyl]-2-naphthoate
- 108-87-2Cyclohexane, methyl-
- 130-95-0Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
- 30674-80-72-Isocyanatoethyl methacrylate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Chemistry
Molecule structure of 1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) (CAS NO.5407-04-5):
IUPAC Name: 3-Chloro-N,N-dimethylpropan-1-amine hydrochloride
Molecular Formula: C5H13Cl2N
Formula Weight: 158.07 g/mol
Melting Point: 187-190 °C(lit.)
Flash Point: 32.8 °C
Boiling Point: 130.7 °C at 760 mmHg
Vapour Pressure: 9.61 mmHg at 25 °C
Water Solubility: soluble
Sensitive: hygroscopic
Appearence: white to yellowish crystalline powder
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Exact Mass: 157.042505
MonoIsotopic Mass: 157.042505
Topological Polar Surface Area: 3.2
Heavy Atom Count: 8
Canonical SMILES: CN(C)CCCCl.Cl
InChI: InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N
EINECS: 224-971-7
Classification Code: Mutation data; Tumor data
Uses
1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) (CAS NO.5407-04-5) is used as intermediate for the syntheses of pharmaceuticals (e.g. cyclobenzaprine, imipramine, benzydamine, amitriptyline and bencyclane).
Production
Put dimethylamine and propylene alcohol into the reaction tank, in the presence of sodium hydroxide, synthesizing at the temperature of 130-150 °C and under pressure of 127.5-147.1kPa, 1-dimethylamino-C-3-ol is obtained by reversed flow for 24h. Then use thionyl chloride to chlorination, 1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) is synthesized at the temperature of 55-90 °C for 9-10h.
Toxicity Data With Reference
| 1. | mic-sat 10 mg/L | ENMUDM Environmental Mutagenesis. 3 (1981),33. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 22-36/37/38-52/53
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-61-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: TY1225000
F: 3
Hazard Note: Irritant
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Specification
1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochloride (1:1) (CAS NO.5407-04-5) is also named as 1-Chloro-3-(dimethylamino)propane hydrochloride ; 3-(Dimethylamino)-1-propyl chloride hydrochloride ; 3-(Dimethylamino)chloropropane hydrochloride ; 3-(Dimethylamino)propyl chloride hydrochloride ; 3-Chloro-N',N'-dimethylaminopropane hydrochloride ; 3-Chloro-N,N-dimethyl-1-propanamine hydrochloride ; 3-Chloro-N,N-dimethyl-1-propylamine hydrochloride ; 3-Chloro-N,N-dimethylpropylamine hydrochloride ; AI3-26681 ; CCRIS 7054 ; Dimethylaminopropyl chloride, hydrochloride ; N,N-Dimethyl-3-chloropropylamine hydrochloride ; NSC 5368 .